1-[2-nitro-6-[3-nitro-2-(4-oxidanylpiperidin-1-yl)phenyl]sulfonyl-phenyl]piperidin-4-ol

Systemtic Name: 1-[2-nitro-6-[3-nitro-2-(4-oxidanylpiperidin-1-yl)phenyl]sulfonyl-phenyl]piperidin-4-ol Openeye Name: 1-[2-[2-(4-hydroxy-1-piperidyl)-3-nitro-phenyl]sulfonyl-6-nitro-phenyl]piperidin-4-ol CAS Name: 1-[2-[2-(4-hydroxy-1-piperidinyl)-3-nitrophenyl]sulfonyl-6-nitrophenyl]-4-piperidinol IUPAC Name: 1-[2-[2-(4-hydroxypiperidin-1-yl)-3-nitrophenyl]sulfonyl-6-nitrophenyl]piperidin-4-ol Traditional Name: 1-[2-[2-(4-hydroxypiperidino)-3-nitro-phenyl]sulfonyl-6-nitro-phenyl]piperidin-4-ol Formula: C22H26N4O8S MolecularWeight: 506.52884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)C2=C(C=CC=C2S(=O)(=O)C3=CC=CC(=C3N4CCC(CC4)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1O)C2=C(C=CC=C2S(=O)(=O)C3=CC=CC(=C3N4CCC(CC4)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O8S/c27-15-7-11-23(12-8-15)21-17(25(29)30)3-1-5-19(21)35(33,34)20-6-2-4-18(26(31)32)22(20)24-13-9-16(28)10-14-24/h1-6,15-16,27-28H,7-14H2